SCHEMBL217911

SCHEMBL217911

Fc1ccccc1N1CC[N]CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 4/20 0.51
TSHR P16473 3/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1367739 0.81 ADRB1 (0.42) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL3042980 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL23161511 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL3124652 0.80 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TSHRPOLBLMNA
SCHEMBL1239113 0.78 KEAP1 (0.57) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL30851436 0.78 KEAP1 (0.57) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL6005480 0.78 KEAP1 (0.57) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL219341 0.77 ADRB1 (0.59) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL1267622 0.77 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4ETSHRPOLB
SCHEMBL1447764 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 CN claimed
EP-2678327-B9 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LTD (IN) 2016-12-28 EP claimed
EP-2678327-B1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LTD (IN) 2016-08-17 EP claimed
US-9393247-B2 Heteroaryl derivatives as alpha7 nAChR modulators LUPIN LIMITED (IN) 2016-07-19 US claimed
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators LUPIN LIMITED (IN) 2015-08-20 US claimed
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-07-16 US claimed
US-9072731-B2 Heteroaryl derivatives as alpha7 nAChR modulators LUPIN LIMITED (IN) 2015-07-07 US claimed
US-8853392-B2 Benzamide mGluR5 positive allosteric modulators and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-10-07 US claimed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
US-20130331387-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS LUPIN LIMITED (IN) 2013-12-12 US claimed
WO-2007136875-A2 ACETAMIDE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 WO claimed
WO-2007015064-A1 IMIDAZOLYL-PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-02-08 WO claimed
EP-1667958-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2006-06-14 EP claimed
WO-2005075477-A1 ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 2005-08-18 WO claimed
WO-2005033063-A2 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2005-04-14 WO claimed
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 US claimed
US-4886805-A Novel aminoalkylthio derivatives of triazolopyridine or triazoloquinoline, the processes for their preparation, and drugs, useful especially as analgesics, in which they are present Centre D'Activite Et De Recherches Pharmaceutique Industrielle Biologique Medicale (FR) 1989-12-12 US claimed
EP-0171005-B1 XANTHINYLMETHYLTHIAZOLIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1989-11-23 EP claimed
EP-0254623-A1 Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics LABORATOIRES UPSA (FR) 1988-01-27 EP claimed
EP-0171005-A2 Xanthinylmethylthiazolidines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1986-02-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R SMN1; SMN2 4717/4885ALDH1A1 3383/4885KDM4E 3266/4885
US-20130331387-A1 HETEROARYL DERIVATIVES AS ALPHA7 NACHR MODULATORS CHRNA7, CHRM1, CHRM2 SMN1; SMN2 2518/4885ALDH1A1 3231/4885KDM4E 3110/4885
US-20150197492-A1 NOVEL INDENO[1,2-c]QUINOLIN-11-ONE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF TOP1, TOP2A, TOP2B SMN1; SMN2 3873/4885ALDH1A1 811/4885KDM4E 2355/4885
US-20150231143-A1 Heteroaryl Derivatives as Alpha7 NACHR Modulators CHRNA7, CHRM1, CHRM2 SMN1; SMN2 2301/4885ALDH1A1 2967/4885KDM4E 3036/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.